N-[butoxy(hydroxy)methyl]prop-2-enamide

C8H15NO3 — CID 54007128

IUPACN-[butoxy(hydroxy)methyl]prop-2-enamide
SMILESC=CC(=O)NC(O)OCCCC
InChIInChI=1S/C8H15NO3/c1-3-5-6-12-8(11)9-7(10)4-2/h4,8,11H,2-3,5-6H2,1H3,(H,9,10)
InChIKeyKPRJPLYRJNQHJP-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.38
Rot. Bonds6

About N-[butoxy(hydroxy)methyl]prop-2-enamide

N-[butoxy(hydroxy)methyl]prop-2-enamide (PubChem CID 54007128) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is N-[butoxy(hydroxy)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[butoxy(hydroxy)methyl]prop-2-enamide
PubChem CID54007128
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC NameN-[butoxy(hydroxy)methyl]prop-2-enamide
SMILESC=CC(=O)NC(O)OCCCC
InChIInChI=1S/C8H15NO3/c1-3-5-6-12-8(11)9-7(10)4-2/h4,8,11H,2-3,5-6H2,1H3,(H,9,10)
InChIKeyKPRJPLYRJNQHJP-UHFFFAOYSA-N
XLogP0.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(Butoxymethyl)acrylamide
CID 15817
N-(dibutoxymethyl)prop-2-enamide
CID 17916756
N-(diethoxymethyl)prop-2-enamide
CID 18326984
N-[hydroxy(methoxy)methyl]prop-2-enamide
CID 18690255
N-[1-(1-hydroxyethoxy)ethyl]prop-2-enamide
CID 18760971
1-butoxybutane;N-(hydroxymethyl)prop-2-enamide
CID 19910245
N-(butoxymethyl)prop-2-enamide;N-(hydroxymethyl)prop-2-enamide
CID 21477914
N-[hydroxy(2-methylpropoxy)methyl]prop-2-enamide
CID 23187927
N-[ethoxy(hydroxy)methyl]prop-2-enamide
CID 54426891
N-[hydroxy-[hydroxy-(prop-2-enoylamino)methoxy]methyl]prop-2-enamide
CID 57140521
N-[ethoxy(methoxy)methyl]prop-2-enamide
CID 87520569
N-(hydroxymethoxymethyl)prop-2-enamide
CID 141481859

Frequently Asked Questions

What is the IUPAC name of N-[butoxy(hydroxy)methyl]prop-2-enamide?
The IUPAC name of N-[butoxy(hydroxy)methyl]prop-2-enamide (CID 54007128) is N-[butoxy(hydroxy)methyl]prop-2-enamide.
What is the SMILES notation for N-[butoxy(hydroxy)methyl]prop-2-enamide?
The canonical SMILES for N-[butoxy(hydroxy)methyl]prop-2-enamide is C=CC(=O)NC(O)OCCCC.
What is the InChIKey of N-[butoxy(hydroxy)methyl]prop-2-enamide?
The InChIKey is KPRJPLYRJNQHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-3-5-6-12-8(11)9-7(10)4-2/h4,8,11H,2-3,5-6H2,1H3,(H,9,10).
What are the key properties of N-[butoxy(hydroxy)methyl]prop-2-enamide?
N-[butoxy(hydroxy)methyl]prop-2-enamide has a molecular weight of 173.21 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[butoxy(hydroxy)methyl]prop-2-enamide is sourced from PubChem (CID 54007128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).